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30 similar compounds to monomer 50290798

Compile data set for download or QSAR
Wt: 1065.2
BDBM50043897
Purchase
Wt: 1051.2
BDBM50043898
Wt: 1094.3
BDBM50285475
Wt: 1065.2
BDBM50285479
Wt: 1093.2
BDBM50285483
Wt: 1079.2
BDBM50285488
Wt: 1047.1
BDBM50285489
Wt: 1093.2
BDBM50285491
Wt: 1129.3
BDBM50285492
Wt: 1048.2
BDBM50290784
Wt: 1154.3
BDBM50290786
Wt: 1106.2
BDBM50290789
Wt: 1122.2
BDBM50290796
Wt: 1065.2
BDBM50290797
Wt: 1110.2
BDBM50290800
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50043897,50043898,50285475,50285479,50285483,50285488,50285489,50285491,50285492,50290784,50290786,50290789,50290796,50290797,50290800   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucan Synthase


(Candida albicans (Yeast))
BDBM50043897
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(2-carbamoyl-...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290800
PNG
(CHEMBL262998 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(c1)[N+]([O-])=O)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H79N9O19/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(67)52-29-21-35(65)46(72)56-48(74)41-33(63)16-17-57(41)50(76)39(34(64)22-36(51)66)54-47(73)40(43(69)42(68)27-14-15-32(62)30(19-27)59(77)78)55-45(71)31-20-28(61)23-58(31)49(75)38(26(4)60)53-44(29)70/h14-15,19,24-26,28-29,31,33-35,38-43,46,60-65,68-69,72H,5-13,16-18,20-23H2,1-4H3,(H2,51,66)(H,52,67)(H,53,70)(H,54,73)(H,55,71)(H,56,74)/t24?,25?,26-,28-,29-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285479
PNG
(10,12-Dimethyl-tetradecanoic acid [6-[1,2-dihydrox...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC
Show InChI InChI=1S/C51H84N8O16/c1-6-27(2)23-28(3)13-11-9-7-8-10-12-14-38(66)53-33-25-37(65)47(71)57-49(73)42-36(64)20-22-58(42)51(75)40(35(63)19-21-52-5)55-48(72)41(44(68)43(67)30-15-17-31(61)18-16-30)56-46(70)34-24-32(62)26-59(34)50(74)39(29(4)60)54-45(33)69/h15-18,27-29,32-37,39-44,47,52,60-65,67-68,71H,6-14,19-26H2,1-5H3,(H,53,66)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/t27?,28?,29-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42+,43+,44+,47-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285483
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-acetylamin...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(C)=O
Show InChI InChI=1S/C52H84N8O17/c1-6-27(2)23-28(3)13-11-9-7-8-10-12-14-39(68)54-34-25-38(67)48(73)58-50(75)43-37(66)20-22-59(43)52(77)41(36(65)19-21-53-30(5)62)56-49(74)42(45(70)44(69)31-15-17-32(63)18-16-31)57-47(72)35-24-33(64)26-60(35)51(76)40(29(4)61)55-46(34)71/h15-18,27-29,33-38,40-45,48,61,63-67,69-70,73H,6-14,19-26H2,1-5H3,(H,53,62)(H,54,68)(H,55,71)(H,56,74)(H,57,72)(H,58,75)/t27?,28?,29-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,48-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50043898
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-amino-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN
Show InChI InChI=1S/C50H82N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285488
PNG
(1N-[23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-20...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN(C)C
Show InChI InChI=1S/C52H86N8O16/c1-7-28(2)24-29(3)14-12-10-8-9-11-13-15-39(67)53-34-26-38(66)48(72)57-50(74)43-37(65)21-23-59(43)52(76)41(36(64)20-22-58(5)6)55-49(73)42(45(69)44(68)31-16-18-32(62)19-17-31)56-47(71)35-25-33(63)27-60(35)51(75)40(30(4)61)54-46(34)70/h16-19,28-30,33-38,40-45,48,61-66,68-69,72H,7-15,20-27H2,1-6H3,(H,53,67)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,48-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285489
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(2-cyano-1-hy...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CC#N
Show InChI InChI=1S/C50H78N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-19,21-25H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285491
PNG
(10,12-Dimethyl-tetradecanoic acid [6-[1,2-dihydrox...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCNC(N)=N
Show InChI InChI=1S/C51H84N10O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(68)55-32-24-36(67)46(73)59-48(75)41-35(66)19-21-60(41)50(77)39(34(65)18-20-54-51(52)53)57-47(74)40(43(70)42(69)29-14-16-30(63)17-15-29)58-45(72)33-23-31(64)25-61(33)49(76)38(28(4)62)56-44(32)71/h14-17,26-28,31-36,38-43,46,62-67,69-70,73H,5-13,18-25H2,1-4H3,(H,55,68)(H,56,71)(H,57,74)(H,58,72)(H,59,75)(H4,52,53,54)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285492
PNG
(1N-[20-[3-di(cyanomethyl)amino-1-hydroxypropyl]-23...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN(CC#N)CC#N
Show InChI InChI=1S/C54H84N10O16/c1-5-30(2)26-31(3)12-10-8-6-7-9-11-13-41(71)57-36-28-40(70)50(76)61-52(78)45-39(69)19-23-63(45)54(80)43(38(68)18-22-62(24-20-55)25-21-56)59-51(77)44(47(73)46(72)33-14-16-34(66)17-15-33)60-49(75)37-27-35(67)29-64(37)53(79)42(32(4)65)58-48(36)74/h14-17,30-32,35-40,42-47,50,65-70,72-73,76H,5-13,18-19,22-29H2,1-4H3,(H,57,71)(H,58,74)(H,59,77)(H,60,75)(H,61,78)/t30?,31?,32-,35-,36+,37+,38-,39+,40-,42+,43+,44+,45+,46+,47+,50-/m1/s1
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n/an/a>200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290784
PNG
(CHEMBL413522 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(N)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H81N9O15/c1-5-26(2)18-27(3)12-10-8-6-7-9-11-13-40(68)54-33-21-30(61)24-53-48(72)44-36(64)16-17-58(44)50(74)43(38(66)23-39(52)67)57-47(71)42(37(65)20-29-14-15-35(63)32(51)19-29)56-46(70)34-22-31(62)25-59(34)49(73)41(28(4)60)55-45(33)69/h14-15,19,26-28,30-31,33-34,36-38,41-44,60-66H,5-13,16-18,20-25,51H2,1-4H3,(H2,52,67)(H,53,72)(H,54,68)(H,55,69)(H,56,70)(H,57,71)/t26?,27?,28-,30-,31-,33-,34+,36+,37+,38+,41+,42+,43+,44+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290786
PNG
(CHEMBL406668 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(=O)CS)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H83N9O18S/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(69)55-31-21-36(67)48(75)59-50(77)43-34(65)16-17-60(43)52(79)41(35(66)22-37(53)68)57-49(76)42(45(72)44(71)28-14-15-33(64)30(19-28)54-39(70)24-80)58-47(74)32-20-29(63)23-61(32)51(78)40(27(4)62)56-46(31)73/h14-15,19,25-27,29,31-32,34-36,40-45,48,62-67,71-72,75,80H,5-13,16-18,20-24H2,1-4H3,(H2,53,68)(H,54,70)(H,55,69)(H,56,73)(H,57,76)(H,58,74)(H,59,77)/t25?,26?,27-,29-,31-,32+,34+,35+,36-,40+,41+,42+,43+,44-,45-,48-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290789
PNG
(CHEMBL408469 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(c1)N=[N+]=[N-])[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H79N11O17/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(69)53-30-21-35(67)46(74)57-48(76)41-33(65)16-17-60(41)50(78)39(34(66)22-36(51)68)55-47(75)40(43(71)42(70)27-14-15-32(64)29(19-27)58-59-52)56-45(73)31-20-28(63)23-61(31)49(77)38(26(4)62)54-44(30)72/h14-15,19,24-26,28,30-31,33-35,38-43,46,62-67,70-71,74H,5-13,16-18,20-23H2,1-4H3,(H2,51,68)(H,53,69)(H,54,72)(H,55,75)(H,56,73)(H,57,76)/t24?,25?,26-,28-,30-,31+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290796
PNG
(CHEMBL439260 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)c(NC(C)=O)c1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C52H83N9O18/c1-6-25(2)19-26(3)13-11-9-7-8-10-12-14-39(70)55-32-22-37(68)48(75)59-50(77)43-35(66)17-18-60(43)52(79)41(36(67)23-38(53)69)57-49(76)42(45(72)44(71)29-15-16-34(65)31(20-29)54-28(5)63)58-47(74)33-21-30(64)24-61(33)51(78)40(27(4)62)56-46(32)73/h15-16,20,25-27,30,32-33,35-37,40-45,48,62,64-68,71-72,75H,6-14,17-19,21-24H2,1-5H3,(H2,53,69)(H,54,63)(H,55,70)(H,56,73)(H,57,76)(H,58,74)(H,59,77)/t25?,26?,27-,30-,32-,33+,35+,36+,37-,40+,41+,42+,43+,44-,45-,48-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50290797
PNG
(CHEMBL267988 | Pneumocandin analogue)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)[C@H](O)c1ccc(O)cc1)[C@@H](O)CC(N)=O
Show InChI InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31-,32+,33+,34+,35-,38+,39+,40+,41+,42-,43-,46-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.


Bioorg Med Chem Lett 7: 2879-2884 (1997)


Article DOI: 10.1016/S0960-894X(97)10107-X
BindingDB Entry DOI: 10.7270/Q2D79BDP
More data for this
Ligand-Target Pair
Glucan Synthase


(Candida albicans (Yeast))
BDBM50285475
PNG
(1N-[23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-20...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CC[N+](C)(C)C
Show InChI InChI=1S/C53H88N8O16/c1-8-29(2)25-30(3)15-13-11-9-10-12-14-16-40(68)54-35-27-39(67)49(73)58-51(75)44-38(66)21-23-59(44)53(77)42(37(65)22-24-61(5,6)7)56-50(74)43(46(70)45(69)32-17-19-33(63)20-18-32)57-48(72)36-26-34(64)28-60(36)52(76)41(31(4)62)55-47(35)71/h17-20,29-31,34-39,41-46,49,62,64-67,69-70,73H,8-16,21-28H2,1-7H3,(H5-,54,55,56,57,58,63,68,71,72,74,75)/p+1/t29?,30?,31-,34-,35+,36+,37-,38+,39-,41+,42+,43+,44+,45+,46+,49-/m1/s1
UniProtKB/TrEMBL

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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).


Bioorg Med Chem Lett 5: 2357-2362 (1995)


Article DOI: 10.1016/0960-894X(95)00407-K
BindingDB Entry DOI: 10.7270/Q29886Z7
More data for this
Ligand-Target Pair